3,5-Dihydroxy-2-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H22O10
IUPAC Name (e)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 434.393 g·mol−1
Heat of Formation -1573.0 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 483.33 Å 3
Surface Area 370.71 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 1-(2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (e)-
  • chalcone 2'-o-glucoside
  • isosalipurposide
  • phlorizin chalcone
CAS Number(s)
  • 4547-85-7
  • 20565-42-8
  • 26107-98-2
  • 28757-26-8
InChIKey WQCWELFQKXIPCN-JSYAWONVSA-N
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